2-chloro-6-methylsulfanyl-1H-benzimidazole

C8H7ClN2S — CID 18799430

IUPAC2-chloro-6-methylsulfanyl-1H-benzimidazole
SMILESCSc1ccc2nc(Cl)[nH]c2c1
InChIInChI=1S/C8H7ClN2S/c1-12-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H,10,11)
InChIKeyZFHHWMWWIKSYTK-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.94
Rot. Bonds1

About 2-chloro-6-methylsulfanyl-1H-benzimidazole

2-chloro-6-methylsulfanyl-1H-benzimidazole (PubChem CID 18799430) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 2-chloro-6-methylsulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name2-chloro-6-methylsulfanyl-1H-benzimidazole
PubChem CID18799430
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name2-chloro-6-methylsulfanyl-1H-benzimidazole
SMILESCSc1ccc2nc(Cl)[nH]c2c1
InChIInChI=1S/C8H7ClN2S/c1-12-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H,10,11)
InChIKeyZFHHWMWWIKSYTK-UHFFFAOYSA-N
XLogP2.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-6-methylsulfanyl-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylsulfanyl-1H-benzimidazole?
The IUPAC name of 2-chloro-6-methylsulfanyl-1H-benzimidazole (CID 18799430) is 2-chloro-6-methylsulfanyl-1H-benzimidazole.
What is the SMILES notation for 2-chloro-6-methylsulfanyl-1H-benzimidazole?
The canonical SMILES for 2-chloro-6-methylsulfanyl-1H-benzimidazole is CSc1ccc2nc(Cl)[nH]c2c1.
What is the InChIKey of 2-chloro-6-methylsulfanyl-1H-benzimidazole?
The InChIKey is ZFHHWMWWIKSYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-12-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H,10,11).
What are the key properties of 2-chloro-6-methylsulfanyl-1H-benzimidazole?
2-chloro-6-methylsulfanyl-1H-benzimidazole has a molecular weight of 198.68 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylsulfanyl-1H-benzimidazole is sourced from PubChem (CID 18799430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).